SCHEMBL12816623

SCHEMBL12816623

CCCCc1ccc([Si](Cl)(c2ccc(CCCC)cc2)c2cc(C)cc(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
CA2 P00918 2/20 0.40
HSD11B1 P28845 1/20 0.40
CA1 P00915 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CTRC Q99895 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ESR1 P03372 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12817558 1.00 SKP2 (0.41) SKP2CA2HSD11B1CA1NPC1
SCHEMBL15409658 0.89 SKP2 (0.34) SKP2CA2HSD11B1CA1NPC1
SCHEMBL10317959 0.88 CA2 (0.48) CA2HSD11B1CA1ALDH1A1HPGD
SCHEMBL15408471 0.86 NPC1 (0.43) SKP2CA2HSD11B1CA1NPC1
SCHEMBL15410559 0.86 NPC1 (0.43) SKP2CA2HSD11B1CA1NPC1
SCHEMBL10320192 0.81 HSD11B1 (0.50) CA2HSD11B1CA1ALDH1A1HPGD
SCHEMBL10319574 0.81 HSD11B1 (0.50) CA2HSD11B1CA1ALDH1A1HPGD
SCHEMBL12817106 0.80 PTGS2 (0.44) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL15410774 0.80 PTGS2 (0.44) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL3186842 0.76 CA2 (0.48) CA2HSD11B1CA1ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed